(12α)-12-Hydroxypregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C21H30O3
IUPAC Name (8r,9s,10r,12s,13s,14s,17s)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 330.461 g·mol−1
Heat of Formation -667.4 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 419.25 Å 3
Surface Area 327.9 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,12s,13s,14s,17s)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,12s,13s,14s,17s)-17-ethanoyl-12-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 12alpha-hydroxy-4-pregnene-3,20-dione
  • 12alpha-hydroxypregn-4-ene-3,20-dione
  • 12alpha-hydroxyprogesterone
  • pregn-4-ene-3,20-dione, 12-hydroxy-, (12alpha)-
CAS Number(s)
  • 19897-02-0
InChIKey GBYPMNXBNFQGAV-GCOKGBOCSA-N
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